(3S)-2-[2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[2-[(3-fluoro-4-methyl-phenyl)methylamino]-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-[(3-fluoro-4-methyl-benzyl)amino]-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H22FN3O2 MolecularWeight: 355.405983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)CN2CC3=CC=CC=C3CC2C(=O)N)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)CN2CC3=CC=CC=C3C[C@H]2C(=O)N)F

InChI

InChI=1S/C20H22FN3O2/c1-13-6-7-14(8-17(13)21)10-23-19(25)12-24-11-16-5-3-2-4-15(16)9-18(24)20(22)26/h2-8,18H,9-12H2,1H3,(H2,22,26)(H,23,25)/t18-/m0/s1